Dipole field calculation in parallel with direct sum #4626
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@RudolfWeeber managed to fix the compilation issue and tested quickly again. There was a combination of #ifdef incompatibility, std:tie use seems to be replaced across the board, gather_particle_data() return changed. Don't know how to assign you as a reviewer, probably need write privileges to do that. Hopefully this is a good place to start. |
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Introduce dipolar direct sum CPU kernels to compute the total dipole field on magnetic particles. Co-authored-by: Jean-Noël Grad <[email protected]>
jngrad
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Jun 13, 2023
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New feature: calculate and track the total dipole field for each particle, in parallel. This implementation is related to the recently merged magnetostatics actor DirectSumCpu that uses MPI and can use replicas to simulate open systems, with vacuum boundary conditions.
Description of changes:
DIPOLE_FIELD_TRACKINGwhich impliesDIPOLESLongRangeForceandLongRangeEnergy, there is now aLongRangeField, but only for DDS on CPUdip_fldifDIPOLE_FIELD_TRACKINGis definedsystem.analysis.dipole_fields()to update the particle fieldsespressomd.observables.ParticleDipoleFields()